CID 24843888

Propiophenone, 3-(dimethylamino)-, 4-(p-methoxyphenyl)semicarbazone, hydrochloride

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CN(C)CC/C(=N/NC(=O)NC1=CC=C(C=C1)OC)/C2=CC=CC=C2
InChI
InChI=1S/C19H24N4O2/c1-23(2)14-13-18(15-7-5-4-6-8-15)21-22-19(24)20-16-9-11-17(25-3)12-10-16/h4-12H,13-14H2,1-3H3,(H2,20,22,24)/b21-18-
InChIKey
UMABJDOZKGOZHH-UZYVYHOESA-N
Compound name
1-[(Z)-[3-(dimethylamino)-1-phenylpropylidene]amino]-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1899 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19718 183.0
[M+Na]+ 363.17912 185.4
[M-H]- 339.18262 191.5
[M+NH4]+ 358.22372 195.9
[M+K]+ 379.15306 183.9
[M+H-H2O]+ 323.18716 172.7
[M+HCOO]- 385.18810 210.5
[M+CH3COO]- 399.20375 226.4
[M+Na-2H]- 361.16457 186.6
[M]+ 340.18935 184.4
[M]- 340.19045 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.